Compound Identification
SMILES
CCN(C(O)=O)C1=NC(Cl)=C(C(N)=C1)[N+]([O-])=O
InChIKey
InChIKey=PUGWPZHJEREUDX-UHFFFAOYSA-N
Formula
C8H9ClN4O4
Mass
260.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
2-halopyridines Aminopyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Tertiary amines Carbamic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organochlorides Carbonyl compounds Primary amines Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Tertiary amine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available